[(2R)-2-hexadecanoyloxy-3-[hydroxy-[(1R,2R,3R,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate
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![[(2R)-2-hexadecanoyloxy-3-[hydroxy-[(1R,2R,3R,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/029243396b8447548e67c7ebc751abe8.png "[(2R)-2-hexadecanoyloxy-3-[hydroxy-[(1R,2R,3R,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate")
[(2R)-2-hexadecanoyloxy-3-[hydroxy-[(1R,2R,3R,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate
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CAS No:
291527-75-8
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Formula:
C41H80O16P2
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Chemical Name:
[(2R)-2-hexadecanoyloxy-3-[hydroxy-[(1R,2R,3R,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate
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Synonyms:
PI5P; phosphatidylinositol-5-monophosphate; PtdIns(5)P;
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CAS No:
Description
1,2-dipalmitoyl-sn-glycero-3-phospho-(1D-myo-inositol-5-phosphate) is a 1-phosphatidyl-1D-myo-inositol 5-phosphate in which both phosphatidyl acyl groups are specified as palmitoyl (hexadecanoyl). It derives from a hexadecanoic acid. It is a conjugate acid of a 1,2-dipalmitoyl-sn-glycero-3-phospho-(1D-myo-inositol-5-phosphate)(3-).
[(2R)-2-hexadecanoyloxy-3-[hydroxy-[(1R,2R,3R,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate Basic Attributes
891.01200
890.49216046 g/mol
DTXSID40349243
Computed Properties
Molecular Weight:891.0
XLogP3:9.1
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:40
Exact Mass:890.49216046
Monoisotopic Mass:890.49216046
Topological Polar Surface Area:256
Heavy Atom Count:59
Complexity:1170
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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